UCSF

ZINC35609627

Substance Information

In ZINC since Heavy atoms Benign functionality
October 9th, 2009 19 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -1.96 -0.87 -8.88 3 5 0 70 263.341 4
Mid Mid (pH 6-8) -1.96 -0.53 -44.38 4 5 1 71 264.349 4
Lo Low (pH 4.5-6) -1.96 1.75 -98.94 5 5 2 73 265.357 4

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )